[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C34H33ClN4O3 — CID 91635942

IUPAC[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)c5ccc(OC)cc5)CC4)n3c2)c1
InChIInChI=1S/C34H33ClN4O3/c1-3-42-30-6-4-5-26(21-30)27-11-16-32-36-33(24-7-12-28(35)13-8-24)31(39(32)22-27)23-37-17-19-38(20-18-37)34(40)25-9-14-29(41-2)15-10-25/h4-16,21-22H,3,17-20,23H2,1-2H3
InChIKeyHKSFRCAACMBESX-UHFFFAOYSA-N
MW581.12 g/mol
LogP6.69
Rot. Bonds8

About [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 91635942) has the molecular formula C34H33ClN4O3 and a molecular weight of 581.12 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID91635942
Molecular FormulaC34H33ClN4O3
Molecular Weight581.12 g/mol
Exact Mass580.22
IUPAC Name[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)c5ccc(OC)cc5)CC4)n3c2)c1
InChIInChI=1S/C34H33ClN4O3/c1-3-42-30-6-4-5-26(21-30)27-11-16-32-36-33(24-7-12-28(35)13-8-24)31(39(32)22-27)23-37-17-19-38(20-18-37)34(40)25-9-14-29(41-2)15-10-25/h4-16,21-22H,3,17-20,23H2,1-2H3
InChIKeyHKSFRCAACMBESX-UHFFFAOYSA-N
XLogP6.69
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.12
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
(4-methoxyphenyl)-[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83275123
4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 91635527
[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 83275121
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
4-[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 121309937
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
3-[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-propan-2-ylpropanamide
CID 83282480
1-[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286724
3-[6-(3-ethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 83273651

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 91635942) is [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is CCOc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)c5ccc(OC)cc5)CC4)n3c2)c1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HKSFRCAACMBESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33ClN4O3/c1-3-42-30-6-4-5-26(21-30)27-11-16-32-36-33(24-7-12-28(35)13-8-24)31(39(32)22-27)23-37-17-19-38(20-18-37)34(40)25-9-14-29(41-2)15-10-25/h4-16,21-22H,3,17-20,23H2,1-2H3.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 581.12 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-(3-ethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 91635942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).